U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuSeClO3 by Materials Project
Abstract
LuSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing LuCl2O5 pentagonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.15–2.32 Å. There are one shorter (2.69 Å) and one longer (2.74 Å) Lu–Cl bond lengths. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Lu3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Lu3+ atoms.
- Publication Date:
- Other Number(s):
- mp-23096
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-Lu-O-Se; LuSeClO3; crystal structure
- OSTI Identifier:
- 1199233
- DOI:
- https://doi.org/10.17188/1199233
Citation Formats
Materials Data on LuSeClO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199233.
Materials Data on LuSeClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1199233
2020.
"Materials Data on LuSeClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1199233. https://www.osti.gov/servlets/purl/1199233. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1199233,
title = {Materials Data on LuSeClO3 by Materials Project},
abstractNote = {LuSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing LuCl2O5 pentagonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.15–2.32 Å. There are one shorter (2.69 Å) and one longer (2.74 Å) Lu–Cl bond lengths. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Lu3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Lu3+ atoms.},
doi = {10.17188/1199233},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}